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Electron Density Study of Garnets:Z3Al2Si3O12(Z=Mg, Fe, Mn, Ca) and Ca3Fe2Si3O12

โœ Scribed by Haruo Sawada

Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
237 KB
Volume
142
Category
Article
ISSN
0022-4596

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โœฆ Synopsis

The crystal structures of seven crystals from five garnet mineral species have been studied through single-crystal X-ray diffraction methods incorporating scattering factor refinement procedures. The derived experimental scattering factors for each atomic species show similar scattering-angle-dependent patterns in their deviations from the theoretical factors. The Si-O distances remain virtually unchanged in the Ca garnets even though the cell constants and the other cation-oxygen distances change with composition. Electron density residuals indicating bonding electrons are seen in all seven crystals, with &0.2 e/A s 3 height between Si and oxygen. Two crystals containing divalent Fe show a characteristic electron density deformation indicating the orientation of the d orbital with paired electrons.

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